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Al2S6Cs8

Structure

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Unit cell
Axis x y z Periodic
1 5.117 0.000 0.000 True
2 0.000 11.227 0.000 True
3 0.000 0.000 13.317 True
Lengths: 5.11711.22713.317
Angles: 90.00090.00090.000

Interactive Convex Hull

Automatically generated for Al-Cs-S using the curated electride and Materials Project reference phases.

Ternary
Generating convex hull for Al-Cs-S…
Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 41.994
full_dft_e_hull full_dft_e_hull 0.046
composition composition Cs4Al1S3
e10 e10 52.999
space_group_number space_group_number 44
chemsys chemsys Al-Cs-S
electride electride True
volume Volume of unit cell 765.000 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.091
band1 band1 0.000
pearson_symbol pearson_symbol oI16
e05 e05 52.999
natoms Number of atoms 16
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.051
formula Chemical formula Al2Cs8S6